2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]hexanamide

Systemtic Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]hexanamide Openeye Name: 2-(7-isoquinolylmethyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]hexanamide CAS Name: 2-(7-isoquinolinylmethyl)-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]hexanamide IUPAC Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]hexanamide Traditional Name: 2-(7-isoquinolylmethyl)-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]hexanamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC2=C(C=C1)C=CN=C2)C(=O)NC3=CC(=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CCCCC(CC1=CC2=C(C=C1)C=CN=C2)C(=O)NC3=CC(=C(C=C3)N4CCCC4=O)C

InChI

InChI=1S/C27H31N3O2/c1-3-4-6-22(16-20-8-9-21-12-13-28-18-23(21)17-20)27(32)29-24-10-11-25(19(2)15-24)30-14-5-7-26(30)31/h8-13,15,17-18,22H,3-7,14,16H2,1-2H3,(H,29,32)